Posts [ 4 ]

Topic: Mass Calculator for Charged Ions

Hello,I would like to generate the theoretical isotope pattern for a metal complex which is a dianion (obtained by ESI). However, I cannot seem to generate(simulate) the proper mass using mass calculator. The Ion series, using hydrogen, generates species which are off by 1 amu. The logical solution would be to use an electron as the ionization agent, however I cannot deviate from the value of -1 (I would like -2). Is there any remedy to this problem? Thanks in advance,Matt

Re: Mass Calculator for Charged Ions

Re: Mass Calculator for Charged Ions

Dear Martin,i have the same problem: for a intrinsic charged metall complex e.g. +2, an "Agent" and "Agent Charge" is not required in the ESI. With the use of "e" as agent the mass for two electrons are subtracted to generate formally the charge +2.

Is there a opportunity to generate the theoretical isotope pattern without additional agent?

I have checked many mass softwere and all dont have this simple application.